SCHEMBL11234864

SCHEMBL11234864

COc1cc(C)c([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11323532 0.87 ALDH1A1 (0.43) MAPTLMNAALDH1A1TDP1KDM4E
SCHEMBL11231727 0.82 TSHR (0.42) MAPTGAAALDH1A1TDP1CYP3A4
SCHEMBL3294994 0.79 ALDH1A1 (0.59) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL11744950 0.79 ALDH1A1 (0.51) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL11239379 0.79 GPR35 (0.43) MAPTGAAALDH1A1TDP1KDM4E
SCHEMBL11744939 0.79 ALDH1A1 (0.51) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL11432077 0.78 TSHR (0.42) MAPTGAAHTTALDH1A1TDP1
SCHEMBL11521960 0.78 TSHR (0.42) MAPTGAAALDH1A1TDP1CYP3A4
SCHEMBL11520955 0.78 TSHR (0.42) MAPTGAAALDH1A1TDP1CYP3A4
SCHEMBL29738113 0.78 ALDH1A1 (0.50) MAPTLMNAALDH1A1TDP1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 — — US disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 — — US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 — — US disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 — — US disclosed
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